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629-38-9

629-38-9 structural image
Product Name: Methyl carbitol acetate
Formula: C7H14O4
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1121.8

COMPUTED DESCRIPTORS

Molecular Weight 162.18 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 162.08920892 g/mol
Monoisotopic Mass 162.08920892 g/mol
Topological Polar Surface Area 44.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 103
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes